octadist.cli¶
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octadist.octadist_cli.
check_file
(file)[source]¶ Check if input file is exist or not.
Parameters: file (str) – Input file name. Returns: file (str) – Input file name.
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octadist.octadist_cli.
find_coord
(file)[source]¶ Find atomic symbols and atomic coordinates of structure.
Parameters: file (str) – Input file name. Returns: - atom (list) – Atomic symbols.
- coord (list) – Atomic coordinates.
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octadist.octadist_cli.
find_octa
(atom, coord)[source]¶ Find atomic symbols and atomic coordinates of structure.
Parameters: Returns: - atom (list) – Atomic symbols of octahedral structure.
- coord (array_like) – Atomic coordinates of octahedral structure.